N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C34H25F4N5O4S — CID 59684946

IUPACN-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5ccc(C(=O)N(C)C)cc5)sc34)c(F)c2)c1C(F)(F)F
InChIInChI=1S/C34H25F4N5O4S/c1-42(2)33(45)20-10-8-19(9-11-20)29-17-24-30(48-29)28(14-15-39-24)47-26-13-12-21(16-23(26)35)41-32(44)22-18-40-43(31(22)34(36,37)38)25-6-4-5-7-27(25)46-3/h4-18H,1-3H3,(H,41,44)
InChIKeyOHXHXTPQJJUFMY-UHFFFAOYSA-N
MW675.66 g/mol
LogP8.06
Rot. Bonds8

About N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59684946) has the molecular formula C34H25F4N5O4S and a molecular weight of 675.66 g/mol. Its IUPAC name is N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59684946
Molecular FormulaC34H25F4N5O4S
Molecular Weight675.66 g/mol
Exact Mass675.16
IUPAC NameN-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5ccc(C(=O)N(C)C)cc5)sc34)c(F)c2)c1C(F)(F)F
InChIInChI=1S/C34H25F4N5O4S/c1-42(2)33(45)20-10-8-19(9-11-20)29-17-24-30(48-29)28(14-15-39-24)47-26-13-12-21(16-23(26)35)41-32(44)22-18-40-43(31(22)34(36,37)38)25-6-4-5-7-27(25)46-3/h4-18H,1-3H3,(H,41,44)
InChIKeyOHXHXTPQJJUFMY-UHFFFAOYSA-N
XLogP8.06
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.66
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 59684946) is N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccnc4cc(-c5ccc(C(=O)N(C)C)cc5)sc34)c(F)c2)c1C(F)(F)F.
What is the InChIKey of N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OHXHXTPQJJUFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F4N5O4S/c1-42(2)33(45)20-10-8-19(9-11-20)29-17-24-30(48-29)28(14-15-39-24)47-26-13-12-21(16-23(26)35)41-32(44)22-18-40-43(31(22)34(36,37)38)25-6-4-5-7-27(25)46-3/h4-18H,1-3H3,(H,41,44).
What are the key properties of N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 675.66 g/mol, XLogP of 8.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59684946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).